1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide

C20H34N4O — CID 72880570

IUPAC1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)C2CCCN(C3CCCC3)C2)c1C
InChIInChI=1S/C20H34N4O/c1-4-24-16(3)19(15(2)22-24)11-12-21-20(25)17-8-7-13-23(14-17)18-9-5-6-10-18/h17-18H,4-14H2,1-3H3,(H,21,25)
InChIKeyMAWPERPMFCZJKT-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.83
Rot. Bonds6

About 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide

1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide (PubChem CID 72880570) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
PubChem CID72880570
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)C2CCCN(C3CCCC3)C2)c1C
InChIInChI=1S/C20H34N4O/c1-4-24-16(3)19(15(2)22-24)11-12-21-20(25)17-8-7-13-23(14-17)18-9-5-6-10-18/h17-18H,4-14H2,1-3H3,(H,21,25)
InChIKeyMAWPERPMFCZJKT-UHFFFAOYSA-N
XLogP2.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide (CID 72880570) is 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide is CCn1nc(C)c(CCNC(=O)C2CCCN(C3CCCC3)C2)c1C.
What is the InChIKey of 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is MAWPERPMFCZJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-4-24-16(3)19(15(2)22-24)11-12-21-20(25)17-8-7-13-23(14-17)18-9-5-6-10-18/h17-18H,4-14H2,1-3H3,(H,21,25).
What are the key properties of 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 346.52 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 72880570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).